SCHEMBL478005

SCHEMBL478005

CCOC(=O)N1C[C@@H]2CCN(Cc3ccc(Cl)[n+]([O-])c3)[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 4/20 0.42
POLB P06746 1/20 0.39
CHRM1 P11229 5/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM5 P08912 2/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6356905 0.82 ALDH1A1 (0.53) POLBCHRM1GAAALDH1A1CHRM5
SCHEMBL477816 0.74 DYRK3 (0.37) CHRM1LMNASMN1; SMN2KMT2ATSHR
SCHEMBL18488356 0.70 HTR1A (0.43) TEAD1ALDH1A1FAAHL3MBTL1KMT2A
SCHEMBL24105172 0.69 JAK2 (0.55) TEAD1KDM4E
SCHEMBL3068861 0.69 JAK2 (0.55) TEAD1KDM4E
SCHEMBL9343895 0.69 GAA (0.45) CHRM1GAAALDH1A1CHRM5L3MBTL1
SCHEMBL9201481 0.68 ALDH1A1 (0.50) CHRM1GAAALDH1A1CHRM5L3MBTL1
SCHEMBL9474570 0.67 TEAD1 (0.48) TEAD1FAAH
SCHEMBL9042581 0.66 ALDH1A1 (0.43) CHRM1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL20467369 0.66 GAA (0.45) POLBCHRM1GAAALDH1A1CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411379-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-12-17 EP disclosed
US-8318793-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO. KG (DE) 2012-11-27 US disclosed
EP-2411379-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbott GmbH & Co. KG (DE) 2012-02-01 EP disclosed
US-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-01-06 US disclosed
WO-2010109005-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 TEAD1 3463/4885POLB 2146/4885CHRM1 4365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.